A12_f | ComputeNonbondedUtil | static |
A6_f | ComputeNonbondedUtil | static |
accelMDOn | ComputeNonbondedUtil | static |
alchDecouple | ComputeNonbondedUtil | static |
alchFepOn | ComputeNonbondedUtil | static |
alchThermIntOn | ComputeNonbondedUtil | static |
alchVdwShiftCoeff | ComputeNonbondedUtil | static |
alchWCAOn | ComputeNonbondedUtil | static |
assignPatches(ComputeMgr *computeMgrIn) | CudaComputeNonbonded | |
assignPatchesOnPe() | CudaComputeNonbonded | |
atomUpdate() | CudaComputeNonbonded | virtual |
B12_f | ComputeNonbondedUtil | static |
B6_f | ComputeNonbondedUtil | static |
basePriority | Compute | protected |
c0 | ComputeNonbondedUtil | static |
c1 | ComputeNonbondedUtil | static |
C12_f | ComputeNonbondedUtil | static |
c3 | ComputeNonbondedUtil | static |
c5 | ComputeNonbondedUtil | static |
c6 | ComputeNonbondedUtil | static |
C6_f | ComputeNonbondedUtil | static |
c7 | ComputeNonbondedUtil | static |
c8 | ComputeNonbondedUtil | static |
calc_error(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_int(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_int(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_int(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_merge_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_slow_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_energy_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_merge_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_merge_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_merge_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_merge_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_merge_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_merge_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_slow_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_slow_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_slow_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_slow_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_slow_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_slow_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_pair_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_int(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_int(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_int(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_merge_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect_fep(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_slow_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_energy_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_merge_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_merge_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_merge_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_merge_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_merge_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_merge_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_slow_fullelect(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_slow_fullelect_go(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_slow_fullelect_les(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_slow_fullelect_pprof(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_slow_fullelect_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_slow_fullelect_ti(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_tabener(nonbonded *) | ComputeNonbondedUtil | static |
calc_self_ti(nonbonded *) | ComputeNonbondedUtil | static |
calcFullPair | ComputeNonbondedUtil | static |
calcFullPairEnergy | ComputeNonbondedUtil | static |
calcFullSelf | ComputeNonbondedUtil | static |
calcFullSelfEnergy | ComputeNonbondedUtil | static |
calcGBIS(nonbonded *params, GBISParamStruct *gbisParams) | ComputeNonbondedUtil | |
calcMergePair | ComputeNonbondedUtil | static |
calcMergePairEnergy | ComputeNonbondedUtil | static |
calcMergeSelf | ComputeNonbondedUtil | static |
calcMergeSelfEnergy | ComputeNonbondedUtil | static |
calcPair | ComputeNonbondedUtil | static |
calcPairEnergy | ComputeNonbondedUtil | static |
calcSelf | ComputeNonbondedUtil | static |
calcSelfEnergy | ComputeNonbondedUtil | static |
calcSlowPair | ComputeNonbondedUtil | static |
calcSlowPairEnergy | ComputeNonbondedUtil | static |
calcSlowSelf | ComputeNonbondedUtil | static |
calcSlowSelfEnergy | ComputeNonbondedUtil | static |
cid | Compute | |
columnsize | ComputeNonbondedUtil | static |
commOnly | ComputeNonbondedUtil | static |
Compute(ComputeID) | Compute | |
ComputeNonbondedUtil() | ComputeNonbondedUtil | inline |
computeType | Compute | protected |
corr_table | ComputeNonbondedUtil | static |
CudaComputeNonbonded(ComputeID c, int deviceID, CudaNonbondedTables &cudaNonbondedTables, bool doStreaming) | CudaComputeNonbonded | |
cutoff | ComputeNonbondedUtil | static |
cutoff2 | ComputeNonbondedUtil | static |
cutoff2_f | ComputeNonbondedUtil | static |
cutoff_3 | ComputeNonbondedUtil | static |
cutoff_3_f | ComputeNonbondedUtil | static |
cutoff_6 | ComputeNonbondedUtil | static |
cutoff_6_f | ComputeNonbondedUtil | static |
dielectric_1 | ComputeNonbondedUtil | static |
doWork() | CudaComputeNonbonded | virtual |
drudeNbthole | ComputeNonbondedUtil | static |
electEnergyIndex enum value | ComputeNonbondedUtil | |
electEnergyIndex_s enum value | ComputeNonbondedUtil | |
electEnergyIndex_ti_1 enum value | ComputeNonbondedUtil | |
electEnergyIndex_ti_2 enum value | ComputeNonbondedUtil | |
enqueueWork() | Compute | protected |
ewaldcof | ComputeNonbondedUtil | static |
exclChecksumIndex enum value | ComputeNonbondedUtil | |
fast_table | ComputeNonbondedUtil | static |
finishPatchesOnPe() | CudaComputeNonbonded | |
finishPatchOnPe(int i) | CudaComputeNonbonded | |
finishReductions() | CudaComputeNonbonded | |
fixedAtomsOn | ComputeNonbondedUtil | static |
full_table | ComputeNonbondedUtil | static |
fullElectEnergyIndex enum value | ComputeNonbondedUtil | |
fullElectEnergyIndex_s enum value | ComputeNonbondedUtil | |
fullElectEnergyIndex_ti_1 enum value | ComputeNonbondedUtil | |
fullElectEnergyIndex_ti_2 enum value | ComputeNonbondedUtil | |
gbisP2PatchReady(PatchID, int seq) | CudaComputeNonbonded | virtual |
gbisP3PatchReady(PatchID, int seq) | CudaComputeNonbonded | virtual |
gbisPhase | Compute | protected |
gbisPhasePriority | Compute | protected |
getGBISPhase(void) | Compute | inline |
getNumPatches() | Compute | inline |
goForcesOn | ComputeNonbondedUtil | static |
goGroPair | ComputeNonbondedUtil | static |
goMethod | ComputeNonbondedUtil | static |
goNativeEnergyIndex enum value | ComputeNonbondedUtil | |
goNonnativeEnergyIndex enum value | ComputeNonbondedUtil | |
groGaussEnergyIndex enum value | ComputeNonbondedUtil | |
groLJEnergyIndex enum value | ComputeNonbondedUtil | |
initialize() | CudaComputeNonbonded | virtual |
k_vdwa | ComputeNonbondedUtil | static |
k_vdwa_f | ComputeNonbondedUtil | static |
k_vdwb | ComputeNonbondedUtil | static |
k_vdwb_f | ComputeNonbondedUtil | static |
lambda_table | ComputeNonbondedUtil | static |
launchWork() | CudaComputeNonbonded | |
ldObjHandle | Compute | |
lesFactor | ComputeNonbondedUtil | static |
lesOn | ComputeNonbondedUtil | static |
lesScaling | ComputeNonbondedUtil | static |
ljTable | ComputeNonbondedUtil | static |
localWorkMsg | Compute | |
messageEnqueueWork() | CudaComputeNonbonded | |
mol | ComputeNonbondedUtil | static |
noWork() | CudaComputeNonbonded | virtual |
openBoxesOnPe() | CudaComputeNonbonded | |
pairInteractionOn | ComputeNonbondedUtil | static |
pairInteractionSelf | ComputeNonbondedUtil | static |
pairlistWarningIndex enum value | ComputeNonbondedUtil | |
patchReady(PatchID, int doneMigration, int seq) | CudaComputeNonbonded | virtual |
pi_ewaldcof | ComputeNonbondedUtil | static |
pressureProfileAtomTypes | ComputeNonbondedUtil | static |
pressureProfileMin | ComputeNonbondedUtil | static |
pressureProfileOn | ComputeNonbondedUtil | static |
pressureProfileSlabs | ComputeNonbondedUtil | static |
pressureProfileThickness | ComputeNonbondedUtil | static |
priority(void) | Compute | inline |
qmForcesOn | ComputeNonbondedUtil | static |
r2_delta | ComputeNonbondedUtil | static |
r2_delta_1 | ComputeNonbondedUtil | static |
r2_delta_exp | ComputeNonbondedUtil | static |
r2_table | ComputeNonbondedUtil | static |
reductionDataSize enum value | ComputeNonbondedUtil | |
registerComputePair(ComputeID cid, PatchID *pid, int *trans) | CudaComputeNonbonded | |
registerComputeSelf(ComputeID cid, PatchID pid) | CudaComputeNonbonded | |
rowsize | ComputeNonbondedUtil | static |
scale14 | ComputeNonbondedUtil | static |
scaling | ComputeNonbondedUtil | static |
scor_table | ComputeNonbondedUtil | static |
select(void) | ComputeNonbondedUtil | static |
sequence(void) | Compute | inline |
setNumPatches(int n) | Compute | inline |
skipPatchesOnPe() | CudaComputeNonbonded | |
slow_table | ComputeNonbondedUtil | static |
square(const BigReal &x, const BigReal &y, const BigReal &z) | ComputeNonbondedUtil | inlinestatic |
submitPressureProfileData(BigReal *, SubmitReduction *) | ComputeNonbondedUtil | static |
submitReductionData(BigReal *, SubmitReduction *) | ComputeNonbondedUtil | static |
switchOn | ComputeNonbondedUtil | static |
switchOn2 | ComputeNonbondedUtil | static |
switchOn_1 | ComputeNonbondedUtil | static |
switchOn_f | ComputeNonbondedUtil | static |
table_alloc | ComputeNonbondedUtil | static |
table_ener | ComputeNonbondedUtil | static |
table_length | ComputeNonbondedUtil | static |
table_noshort | ComputeNonbondedUtil | static |
table_short | ComputeNonbondedUtil | static |
TENSOR enum value | ComputeNonbondedUtil | |
type() | Compute | inline |
unregisterBoxesOnPe() | CudaComputeNonbonded | |
v_vdwa | ComputeNonbondedUtil | static |
v_vdwa_f | ComputeNonbondedUtil | static |
v_vdwb | ComputeNonbondedUtil | static |
v_vdwb_f | ComputeNonbondedUtil | static |
vdw_switch_mode | ComputeNonbondedUtil | static |
vdwa_table | ComputeNonbondedUtil | static |
vdwb_table | ComputeNonbondedUtil | static |
vdwEnergyIndex enum value | ComputeNonbondedUtil | |
vdwEnergyIndex_s enum value | ComputeNonbondedUtil | |
vdwEnergyIndex_ti_1 enum value | ComputeNonbondedUtil | |
vdwEnergyIndex_ti_2 enum value | ComputeNonbondedUtil | |
vdwForceSwitching | ComputeNonbondedUtil | static |
VECTOR enum value | ComputeNonbondedUtil | |
~Compute() | Compute | virtual |
~ComputeNonbondedUtil() | ComputeNonbondedUtil | inline |
~CudaComputeNonbonded() | CudaComputeNonbonded | |